5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine

C12H17N5 — CID 145198378

IUPAC5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ccc(C(C)C)nc2)n[nH]1
InChIInChI=1S/C12H17N5/c1-8(2)11-5-4-10(6-13-11)7-14-12-15-9(3)16-17-12/h4-6,8H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyTYNGXWOMLKHDQV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds4

About 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine

5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 145198378) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine
PubChem CID145198378
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ccc(C(C)C)nc2)n[nH]1
InChIInChI=1S/C12H17N5/c1-8(2)11-5-4-10(6-13-11)7-14-12-15-9(3)16-17-12/h4-6,8H,7H2,1-3H3,(H2,14,15,16,17)
InChIKeyTYNGXWOMLKHDQV-UHFFFAOYSA-N
XLogP2.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
CID 18778252
methane;5-(2-methylpropyl)-2-propan-2-ylpyridine
CID 158292296
3-N,5-N-bis[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 7325539
5-(3-methylbutyl)-2-propan-2-ylpyridine
CID 91120344
5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 130644739
N-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
CID 18778242
N-ethyl-6-propan-2-ylpyridin-3-amine
CID 20605692
5-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 63208033
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
2-(4-aminophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 110472728
N-ethyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]propan-1-amine
CID 170587211
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine (CID 145198378) is 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine is Cc1nc(NCc2ccc(C(C)C)nc2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is TYNGXWOMLKHDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8(2)11-5-4-10(6-13-11)7-14-12-15-9(3)16-17-12/h4-6,8H,7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine?
5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 145198378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).