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

C5H11N5 — CID 23298741

IUPAC5-(aminomethyl)-1-methylpyrazole-3,4-diamine
SMILESCn1nc(N)c(N)c1CN
InChIInChI=1S/C5H11N5/c1-10-3(2-6)4(7)5(8)9-10/h2,6-7H2,1H3,(H2,8,9)
InChIKeyPWITWJGSWBGOCM-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.96
Rot. Bonds1

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

5-(aminomethyl)-1-methylpyrazole-3,4-diamine (PubChem CID 23298741) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(aminomethyl)-1-methylpyrazole-3,4-diamine
PubChem CID23298741
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name5-(aminomethyl)-1-methylpyrazole-3,4-diamine
SMILESCn1nc(N)c(N)c1CN
InChIInChI=1S/C5H11N5/c1-10-3(2-6)4(7)5(8)9-10/h2,6-7H2,1H3,(H2,8,9)
InChIKeyPWITWJGSWBGOCM-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 5-(aminomethyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 5-(aminomethyl)-1-methylpyrazole-3,4-diamine (CID 23298741) is 5-(aminomethyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 5-(aminomethyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 5-(aminomethyl)-1-methylpyrazole-3,4-diamine is Cn1nc(N)c(N)c1CN.
What is the InChIKey of 5-(aminomethyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is PWITWJGSWBGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-10-3(2-6)4(7)5(8)9-10/h2,6-7H2,1H3,(H2,8,9).
What are the key properties of 5-(aminomethyl)-1-methylpyrazole-3,4-diamine?
5-(aminomethyl)-1-methylpyrazole-3,4-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 5-(aminomethyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 23298741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).