8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine

C12H15N5 — CID 3079268

IUPAC8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
SMILESCN1CCCn2c(nnc2-c2ccncc2)C1
InChIInChI=1S/C12H15N5/c1-16-7-2-8-17-11(9-16)14-15-12(17)10-3-5-13-6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyNMZORDZOUYGQES-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.18
Rot. Bonds1

About 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine

8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine (PubChem CID 3079268) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine.

Molecular Properties

Compound Name8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
PubChem CID3079268
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
SMILESCN1CCCn2c(nnc2-c2ccncc2)C1
InChIInChI=1S/C12H15N5/c1-16-7-2-8-17-11(9-16)14-15-12(17)10-3-5-13-6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyNMZORDZOUYGQES-UHFFFAOYSA-N
XLogP1.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine with MolForge

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Related Compounds

5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621
4-[(2-Methyl-1H-imidazol-1-yl)methyl]pyridine
CID 52949342
(E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine
CID 6858569
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
5-Methyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21925586
9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine
CID 44626289
3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 741385
4-(5-Methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 13500899
8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene
CID 476250
4-[[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-(4-methyl-piperidin-1-yl)-methyl]-pyridine
CID 3229125
N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-(3-pyridinylmethylene)amine
CID 6887464

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine?
The IUPAC name of 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine (CID 3079268) is 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine.
What is the SMILES notation for 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine?
The canonical SMILES for 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine is CN1CCCn2c(nnc2-c2ccncc2)C1.
What is the InChIKey of 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine?
The InChIKey is NMZORDZOUYGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-16-7-2-8-17-11(9-16)14-15-12(17)10-3-5-13-6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine?
8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine has a molecular weight of 229.29 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-pyridin-4-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine is sourced from PubChem (CID 3079268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).