2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine

C10H14N6 — CID 174366997

IUPAC2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
SMILESCC(C)=C1N=C(c2cn(C)nc2N)N=C1N
InChIInChI=1S/C10H14N6/c1-5(2)7-9(12)14-10(13-7)6-4-16(3)15-8(6)11/h4H,1-3H3,(H2,11,15)(H2,12,13,14)
InChIKeyZXWGBADVQSULKF-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.41
Rot. Bonds1

About 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine

2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine (PubChem CID 174366997) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine.

Molecular Properties

Compound Name2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
PubChem CID174366997
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
SMILESCC(C)=C1N=C(c2cn(C)nc2N)N=C1N
InChIInChI=1S/C10H14N6/c1-5(2)7-9(12)14-10(13-7)6-4-16(3)15-8(6)11/h4H,1-3H3,(H2,11,15)(H2,12,13,14)
InChIKeyZXWGBADVQSULKF-UHFFFAOYSA-N
XLogP0.41
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
The IUPAC name of 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine (CID 174366997) is 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine.
What is the SMILES notation for 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
The canonical SMILES for 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine is CC(C)=C1N=C(c2cn(C)nc2N)N=C1N.
What is the InChIKey of 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
The InChIKey is ZXWGBADVQSULKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-5(2)7-9(12)14-10(13-7)6-4-16(3)15-8(6)11/h4H,1-3H3,(H2,11,15)(H2,12,13,14).
What are the key properties of 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine?
2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine is sourced from PubChem (CID 174366997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).