4-(aminomethyl)-1-methylpyrazole-3,5-diamine

C5H11N5 — CID 117123313

IUPAC4-(aminomethyl)-1-methylpyrazole-3,5-diamine
SMILESCn1nc(N)c(CN)c1N
InChIInChI=1S/C5H11N5/c1-10-5(8)3(2-6)4(7)9-10/h2,6,8H2,1H3,(H2,7,9)
InChIKeyWKFHXOCURXVJLR-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.96
Rot. Bonds1

About 4-(aminomethyl)-1-methylpyrazole-3,5-diamine

4-(aminomethyl)-1-methylpyrazole-3,5-diamine (PubChem CID 117123313) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 4-(aminomethyl)-1-methylpyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(aminomethyl)-1-methylpyrazole-3,5-diamine
PubChem CID117123313
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name4-(aminomethyl)-1-methylpyrazole-3,5-diamine
SMILESCn1nc(N)c(CN)c1N
InChIInChI=1S/C5H11N5/c1-10-5(8)3(2-6)4(7)9-10/h2,6,8H2,1H3,(H2,7,9)
InChIKeyWKFHXOCURXVJLR-UHFFFAOYSA-N
XLogP-0.96
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-methylpyrazole-3,5-diamine?
The IUPAC name of 4-(aminomethyl)-1-methylpyrazole-3,5-diamine (CID 117123313) is 4-(aminomethyl)-1-methylpyrazole-3,5-diamine.
What is the SMILES notation for 4-(aminomethyl)-1-methylpyrazole-3,5-diamine?
The canonical SMILES for 4-(aminomethyl)-1-methylpyrazole-3,5-diamine is Cn1nc(N)c(CN)c1N.
What is the InChIKey of 4-(aminomethyl)-1-methylpyrazole-3,5-diamine?
The InChIKey is WKFHXOCURXVJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-10-5(8)3(2-6)4(7)9-10/h2,6,8H2,1H3,(H2,7,9).
What are the key properties of 4-(aminomethyl)-1-methylpyrazole-3,5-diamine?
4-(aminomethyl)-1-methylpyrazole-3,5-diamine has a molecular weight of 141.18 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-methylpyrazole-3,5-diamine is sourced from PubChem (CID 117123313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).