N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine

C16H29N5 — CID 107076253

IUPACN-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(Cc2nnc3n2CCCC3)C1
InChIInChI=1S/C16H29N5/c1-3-17-13(2)14-7-6-9-20(11-14)12-16-19-18-15-8-4-5-10-21(15)16/h13-14,17H,3-12H2,1-2H3
InChIKeyMDHQNWSQRFPEFF-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine

N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine (PubChem CID 107076253) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
PubChem CID107076253
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(Cc2nnc3n2CCCC3)C1
InChIInChI=1S/C16H29N5/c1-3-17-13(2)14-7-6-9-20(11-14)12-16-19-18-15-8-4-5-10-21(15)16/h13-14,17H,3-12H2,1-2H3
InChIKeyMDHQNWSQRFPEFF-UHFFFAOYSA-N
XLogP1.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942
N-ethyl-3-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076277
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107078334
N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]ethanesulfonamide
CID 167850485
methyl 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 113229250
1-[1-(2,2-difluoroethyl)piperidin-3-yl]-N-ethylethanamine
CID 63855151
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126892359
N-ethyl-1-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethanamine
CID 64552883

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine (CID 107076253) is N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(Cc2nnc3n2CCCC3)C1.
What is the InChIKey of N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
The InChIKey is MDHQNWSQRFPEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-3-17-13(2)14-7-6-9-20(11-14)12-16-19-18-15-8-4-5-10-21(15)16/h13-14,17H,3-12H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 107076253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).