(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine

C11H16N6 — CID 115289444

IUPAC(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1nnc(C(N)c2cnn(C)c2)n1C1CC1
InChIInChI=1S/C11H16N6/c1-7-14-15-11(17(7)9-3-4-9)10(12)8-5-13-16(2)6-8/h5-6,9-10H,3-4,12H2,1-2H3
InChIKeyCFMKPEMVOFSJJH-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.70
Rot. Bonds3

About (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine

(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine (PubChem CID 115289444) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
PubChem CID115289444
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
SMILESCc1nnc(C(N)c2cnn(C)c2)n1C1CC1
InChIInChI=1S/C11H16N6/c1-7-14-15-11(17(7)9-3-4-9)10(12)8-5-13-16(2)6-8/h5-6,9-10H,3-4,12H2,1-2H3
InChIKeyCFMKPEMVOFSJJH-UHFFFAOYSA-N
XLogP0.70
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 104899179
(1-cyclopropyl-5-methylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288590
(5-bromo-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115288605
(6-chloro-1-cyclopropylbenzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 115473271
1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
CID 62478267
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65222073
4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 104686988
2-amino-1-cyclobutyl-2-(1-methylpyrazol-4-yl)ethanone
CID 116605038
(1-methylpyrazol-4-yl)-(4-phenyl-1,2,4-triazol-3-yl)methanamine
CID 115289456
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 79175205
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
CID 59903777
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine (CID 115289444) is (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine is Cc1nnc(C(N)c2cnn(C)c2)n1C1CC1.
What is the InChIKey of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is CFMKPEMVOFSJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-14-15-11(17(7)9-3-4-9)10(12)8-5-13-16(2)6-8/h5-6,9-10H,3-4,12H2,1-2H3.
What are the key properties of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine?
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 232.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115289444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).