4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine

C6H8N6 — CID 5200223

IUPAC4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine
SMILESCc1nc(-c2cn[nH]c2N)n[nH]1
InChIInChI=1S/C6H8N6/c1-3-9-6(12-10-3)4-2-8-11-5(4)7/h2H,1H3,(H3,7,8,11)(H,9,10,12)
InChIKeyBKEIWYMHCYOIRJ-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.09
Rot. Bonds1

About 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine

4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine (PubChem CID 5200223) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine
PubChem CID5200223
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine
SMILESCc1nc(-c2cn[nH]c2N)n[nH]1
InChIInChI=1S/C6H8N6/c1-3-9-6(12-10-3)4-2-8-11-5(4)7/h2H,1H3,(H3,7,8,11)(H,9,10,12)
InChIKeyBKEIWYMHCYOIRJ-UHFFFAOYSA-N
XLogP0.09
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-{4-[3-(dimethylamino)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine
CID 1472727
3-(1-methyl-1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-amine
CID 28742868
3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 163580380
4-(3-Isobutyl-1-methyl-1h-1,2,4-triazol-5-yl)-1h-pyrazol-5-amine
CID 136021710
3-(3-Amino-1-methylpyrazol-4-yl)-1,2,4-triazol-4-amine
CID 178271480
1-methyl-3-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 157018392
1-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 61278116
2,7-dimethyl-1H-pyrazolo[1,5-b][1,2,4]triazole
CID 10486903
7-methyl-2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10558960
2-ethyl-7-methyl-3H-pyrazolo[1,5-b][1,2,4]triazole
CID 10749349
3,7-dimethyl-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 20670745
5-methyl-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole
CID 43166874

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine (CID 5200223) is 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine is Cc1nc(-c2cn[nH]c2N)n[nH]1.
What is the InChIKey of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
The InChIKey is BKEIWYMHCYOIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-3-9-6(12-10-3)4-2-8-11-5(4)7/h2H,1H3,(H3,7,8,11)(H,9,10,12).
What are the key properties of 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine?
4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine has a molecular weight of 164.17 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 5200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).