N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C14H20N6O — CID 146104643

IUPACN-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCn1nc2c(c1CNc1nnc3n1CCCC3)COCC2
InChIInChI=1S/C14H20N6O/c1-19-12(10-9-21-7-5-11(10)18-19)8-15-14-17-16-13-4-2-3-6-20(13)14/h2-9H2,1H3,(H,15,17)
InChIKeyZNBCZGNCXRDGOZ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.03
Rot. Bonds3

About N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 146104643) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID146104643
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCn1nc2c(c1CNc1nnc3n1CCCC3)COCC2
InChIInChI=1S/C14H20N6O/c1-19-12(10-9-21-7-5-11(10)18-19)8-15-14-17-16-13-4-2-3-6-20(13)14/h2-9H2,1H3,(H,15,17)
InChIKeyZNBCZGNCXRDGOZ-UHFFFAOYSA-N
XLogP1.03
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 146104643) is N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Cn1nc2c(c1CNc1nnc3n1CCCC3)COCC2.
What is the InChIKey of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is ZNBCZGNCXRDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-12(10-9-21-7-5-11(10)18-19)8-15-14-17-16-13-4-2-3-6-20(13)14/h2-9H2,1H3,(H,15,17).
What are the key properties of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 288.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 146104643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).