8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C10H17N3 — CID 117153035

IUPAC8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CCCC2C
InChIInChI=1S/C10H17N3/c1-7(2)9-11-12-10-8(3)5-4-6-13(9)10/h7-8H,4-6H2,1-3H3
InChIKeyBEVMCRNNLJWGDO-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.30
Rot. Bonds1

About 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117153035) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117153035
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CCCC2C
InChIInChI=1S/C10H17N3/c1-7(2)9-11-12-10-8(3)5-4-6-13(9)10/h7-8H,4-6H2,1-3H3
InChIKeyBEVMCRNNLJWGDO-UHFFFAOYSA-N
XLogP2.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridine
CID 20289271
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-bromo-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine
CID 74787789
1-cyclopentyl-N-[(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]methanamine
CID 53613793
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
1-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 75453966
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyridine
CID 91083566
5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 71683342
3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}propan-1-amine dihydrochloride
CID 71756774
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 71757723
[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
CID 73994629
4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
CID 75355416

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 117153035) is 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2n1CCCC2C.
What is the InChIKey of 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BEVMCRNNLJWGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)9-11-12-10-8(3)5-4-6-13(9)10/h7-8H,4-6H2,1-3H3.
What are the key properties of 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 179.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117153035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).