1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine

C10H14F2N6 — CID 135374810

IUPAC1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C(C)(C)c2ncn(C(F)F)n2)cc1N
InChIInChI=1S/C10H14F2N6/c1-6-7(13)4-18(15-6)10(2,3)8-14-5-17(16-8)9(11)12/h4-5,9H,13H2,1-3H3
InChIKeyGZWKDRCABKUYAY-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.54
Rot. Bonds3

About 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine

1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine (PubChem CID 135374810) has the molecular formula C10H14F2N6 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine
PubChem CID135374810
Molecular FormulaC10H14F2N6
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine
SMILESCc1nn(C(C)(C)c2ncn(C(F)F)n2)cc1N
InChIInChI=1S/C10H14F2N6/c1-6-7(13)4-18(15-6)10(2,3)8-14-5-17(16-8)9(11)12/h4-5,9H,13H2,1-3H3
InChIKeyGZWKDRCABKUYAY-UHFFFAOYSA-N
XLogP1.54
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine (CID 135374810) is 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine is Cc1nn(C(C)(C)c2ncn(C(F)F)n2)cc1N.
What is the InChIKey of 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine?
The InChIKey is GZWKDRCABKUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N6/c1-6-7(13)4-18(15-6)10(2,3)8-14-5-17(16-8)9(11)12/h4-5,9H,13H2,1-3H3.
What are the key properties of 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine?
1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine has a molecular weight of 256.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(difluoromethyl)-1,2,4-triazol-3-yl]propan-2-yl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 135374810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).