2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine

C20H26N4O — CID 122138602

IUPAC2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCc1c(C(NCc2nnc3n2CCCC3)C(C)C)oc2ccccc12
InChIInChI=1S/C20H26N4O/c1-13(2)19(20-14(3)15-8-4-5-9-16(15)25-20)21-12-18-23-22-17-10-6-7-11-24(17)18/h4-5,8-9,13,19,21H,6-7,10-12H2,1-3H3
InChIKeyNUVDNKLCFCKNCS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.16
Rot. Bonds5

About 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine

2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine (PubChem CID 122138602) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
PubChem CID122138602
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
SMILESCc1c(C(NCc2nnc3n2CCCC3)C(C)C)oc2ccccc12
InChIInChI=1S/C20H26N4O/c1-13(2)19(20-14(3)15-8-4-5-9-16(15)25-20)21-12-18-23-22-17-10-6-7-11-24(17)18/h4-5,8-9,13,19,21H,6-7,10-12H2,1-3H3
InChIKeyNUVDNKLCFCKNCS-UHFFFAOYSA-N
XLogP4.16
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine with MolForge

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Related Compounds

1-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 113428922
1-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 104578489
(2S)-4-(furan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 99777622
1-(3-methyl-1-benzofuran-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004796
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
5-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 47016896
2-chloro-6-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 107077638
1-(oxolan-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 113428943
1-(2-methyl-1-thiophen-2-ylpropyl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
CID 51083706
(1S)-1-(3-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
CID 107077690
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propanamide
CID 167880020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine (CID 122138602) is 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine is Cc1c(C(NCc2nnc3n2CCCC3)C(C)C)oc2ccccc12.
What is the InChIKey of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is NUVDNKLCFCKNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13(2)19(20-14(3)15-8-4-5-9-16(15)25-20)21-12-18-23-22-17-10-6-7-11-24(17)18/h4-5,8-9,13,19,21H,6-7,10-12H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine?
2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 338.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-1-benzofuran-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 122138602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).