1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

C16H18N4O — CID 43182864

IUPAC1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCC1CC1c1ccc(CNCc2nnc3ccccn23)o1
InChIInChI=1S/C16H18N4O/c1-11-8-13(11)14-6-5-12(21-14)9-17-10-16-19-18-15-4-2-3-7-20(15)16/h2-7,11,13,17H,8-10H2,1H3
InChIKeyNAXZORTVXWHOFN-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.74
Rot. Bonds5

About 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine

1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (PubChem CID 43182864) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
PubChem CID43182864
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
SMILESCC1CC1c1ccc(CNCc2nnc3ccccn23)o1
InChIInChI=1S/C16H18N4O/c1-11-8-13(11)14-6-5-12(21-14)9-17-10-16-19-18-15-4-2-3-7-20(15)16/h2-7,11,13,17H,8-10H2,1H3
InChIKeyNAXZORTVXWHOFN-UHFFFAOYSA-N
XLogP2.74
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine with MolForge

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Related Compounds

3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473556
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473557
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
methyl 5-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]furan-2-carboxylate
CID 43222515
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 95932644
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 103276129
1-(oxan-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62385184
1-[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 99856169
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
CID 61284670

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine (CID 43182864) is 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is CC1CC1c1ccc(CNCc2nnc3ccccn23)o1.
What is the InChIKey of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is NAXZORTVXWHOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-8-13(11)14-6-5-12(21-14)9-17-10-16-19-18-15-4-2-3-7-20(15)16/h2-7,11,13,17H,8-10H2,1H3.
What are the key properties of 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine?
1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 43182864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).