1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine

C9H18N6 — CID 116515831

IUPAC1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine
SMILESCC(C)C/N=C(\NN)Nc1ccn(C)n1
InChIInChI=1S/C9H18N6/c1-7(2)6-11-9(13-10)12-8-4-5-15(3)14-8/h4-5,7H,6,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyPETQFNKFUJHLNK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.31
Rot. Bonds3

About 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine

1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine (PubChem CID 116515831) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine
PubChem CID116515831
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine
SMILESCC(C)C/N=C(\NN)Nc1ccn(C)n1
InChIInChI=1S/C9H18N6/c1-7(2)6-11-9(13-10)12-8-4-5-15(3)14-8/h4-5,7H,6,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyPETQFNKFUJHLNK-UHFFFAOYSA-N
XLogP0.31
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine (CID 116515831) is 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine is CC(C)C/N=C(\NN)Nc1ccn(C)n1.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine?
The InChIKey is PETQFNKFUJHLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-7(2)6-11-9(13-10)12-8-4-5-15(3)14-8/h4-5,7H,6,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine?
1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine has a molecular weight of 210.28 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)guanidine is sourced from PubChem (CID 116515831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).