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

C19H24N6 — CID 86772923

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1nnc2n1CC(NCc1cnn(Cc3ccccc3)c1)CC2
InChIInChI=1S/C19H24N6/c1-2-18-22-23-19-9-8-17(14-25(18)19)20-10-16-11-21-24(13-16)12-15-6-4-3-5-7-15/h3-7,11,13,17,20H,2,8-10,12,14H2,1H3
InChIKeyAMFWOKCSCFLACO-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.19
Rot. Bonds6

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

N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 86772923) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID86772923
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCCc1nnc2n1CC(NCc1cnn(Cc3ccccc3)c1)CC2
InChIInChI=1S/C19H24N6/c1-2-18-22-23-19-9-8-17(14-25(18)19)20-10-16-11-21-24(13-16)12-15-6-4-3-5-7-15/h3-7,11,13,17,20H,2,8-10,12,14H2,1H3
InChIKeyAMFWOKCSCFLACO-UHFFFAOYSA-N
XLogP2.19
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79353122
4-[(1-benzylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183548
1-[(3S,4S)-4-[(1-benzylpyrazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]ethanone
CID 97097630
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95758654
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
N-[(1-benzylpyrazol-4-yl)methyl]-1-methylcyclopropan-1-amine
CID 115635172
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
1-(1-benzylpyrazol-4-yl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51086173
N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4,5,6,7-tetrahydro-2H-benzotriazol-5-amine
CID 166274914
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664575
N-[(1-benzylpyrazol-4-yl)methyl]-1-(thian-4-yl)methanamine
CID 115626030

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 86772923) is N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CCc1nnc2n1CC(NCc1cnn(Cc3ccccc3)c1)CC2.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is AMFWOKCSCFLACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-18-22-23-19-9-8-17(14-25(18)19)20-10-16-11-21-24(13-16)12-15-6-4-3-5-7-15/h3-7,11,13,17,20H,2,8-10,12,14H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 336.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 86772923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).