1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine

C9H16N8 — CID 159205777

IUPAC1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine
SMILESCn1cc(N)cn1.Cn1cc(N=C(N)N)cn1
InChIInChI=1S/C5H9N5.C4H7N3/c1-10-3-4(2-8-10)9-5(6)7;1-7-3-4(5)2-6-7/h2-3H,1H3,(H4,6,7,9);2-3H,5H2,1H3
InChIKeyKPWBYMOUJAZSIM-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.67
Rot. Bonds1

About 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine

1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine (PubChem CID 159205777) has the molecular formula C9H16N8 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine.

Molecular Properties

Compound Name1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine
PubChem CID159205777
Molecular FormulaC9H16N8
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine
SMILESCn1cc(N)cn1.Cn1cc(N=C(N)N)cn1
InChIInChI=1S/C5H9N5.C4H7N3/c1-10-3-4(2-8-10)9-5(6)7;1-7-3-4(5)2-6-7/h2-3H,1H3,(H4,6,7,9);2-3H,5H2,1H3
InChIKeyKPWBYMOUJAZSIM-UHFFFAOYSA-N
XLogP-0.67
TPSA126.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine?
The IUPAC name of 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine (CID 159205777) is 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine.
What is the SMILES notation for 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine?
The canonical SMILES for 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine is Cn1cc(N)cn1.Cn1cc(N=C(N)N)cn1.
What is the InChIKey of 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine?
The InChIKey is KPWBYMOUJAZSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5.C4H7N3/c1-10-3-4(2-8-10)9-5(6)7;1-7-3-4(5)2-6-7/h2-3H,1H3,(H4,6,7,9);2-3H,5H2,1H3.
What are the key properties of 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine?
1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine has a molecular weight of 236.28 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazol-4-amine;2-(1-methylpyrazol-4-yl)guanidine is sourced from PubChem (CID 159205777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).