N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine

C11H11N5O — CID 654251

IUPACN-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCn1nnc2c(NCc3ccco3)nccc21
InChIInChI=1S/C11H11N5O/c1-16-9-4-5-12-11(10(9)14-15-16)13-7-8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyMMKGMNXDZLSYJH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.57
Rot. Bonds3

About N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine

N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine (PubChem CID 654251) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine
PubChem CID654251
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine
SMILESCn1nnc2c(NCc3ccco3)nccc21
InChIInChI=1S/C11H11N5O/c1-16-9-4-5-12-11(10(9)14-15-16)13-7-8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13)
InChIKeyMMKGMNXDZLSYJH-UHFFFAOYSA-N
XLogP1.57
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine (CID 654251) is N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine is Cn1nnc2c(NCc3ccco3)nccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
The InChIKey is MMKGMNXDZLSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-9-4-5-12-11(10(9)14-15-16)13-7-8-3-2-6-17-8/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine?
N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine has a molecular weight of 229.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyltriazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 654251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).