4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine

C14H24N6 — CID 3802152

IUPAC4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine
SMILESCCCCCCCn1c(C)nnc1-c1cnn(C)c1N
InChIInChI=1S/C14H24N6/c1-4-5-6-7-8-9-20-11(2)17-18-14(20)12-10-16-19(3)13(12)15/h10H,4-9,15H2,1-3H3
InChIKeyDKDWPOKXDDOHBA-UHFFFAOYSA-N
MW276.39 g/mol
LogP2.54
Rot. Bonds7

About 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine

4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine (PubChem CID 3802152) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine
PubChem CID3802152
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine
SMILESCCCCCCCn1c(C)nnc1-c1cnn(C)c1N
InChIInChI=1S/C14H24N6/c1-4-5-6-7-8-9-20-11(2)17-18-14(20)12-10-16-19(3)13(12)15/h10H,4-9,15H2,1-3H3
InChIKeyDKDWPOKXDDOHBA-UHFFFAOYSA-N
XLogP2.54
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[5-methyl-4-(3-morpholinopropyl)-4H-1,2,4-triazol-3-yl]-1H-pyrazol-5-amine
CID 1477794
4-{4-[3-(dimethylamino)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine
CID 1472727
1-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 53597785
1-(4-ethyl-5-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70712075
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(4-propyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192562
1-[(1-Ethylpyrazol-4-yl)methyl]-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 53192571
3-isobutyl-1-isopropyl-5-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole
CID 72837732
1-(1-ethenylpyrazol-4-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 121534890
1-tert-butyl-5-(1-isopropyl-1H-pyrazol-4-yl)-3-methyl-1H-1,2,4-triazole
CID 129621451
3-(3-Amino-1-methylpyrazol-4-yl)-1,2,4-triazol-4-amine
CID 178271480
1-Methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine
CID 81251802
1-[[1-(2-Fluoroethyl)pyrazol-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 167802424

Frequently Asked Questions

What is the IUPAC name of 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine (CID 3802152) is 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine is CCCCCCCn1c(C)nnc1-c1cnn(C)c1N.
What is the InChIKey of 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
The InChIKey is DKDWPOKXDDOHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-4-5-6-7-8-9-20-11(2)17-18-14(20)12-10-16-19(3)13(12)15/h10H,4-9,15H2,1-3H3.
What are the key properties of 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine?
4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine has a molecular weight of 276.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-heptyl-5-methyl-1,2,4-triazol-3-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 3802152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).