5-(aminomethyl)-1H-pyrazole-3,4-diamine

C4H9N5 — CID 18183271

IUPAC5-(aminomethyl)-1H-pyrazole-3,4-diamine
SMILESNCc1[nH]nc(N)c1N
InChIInChI=1S/C4H9N5/c5-1-2-3(6)4(7)9-8-2/h1,5-6H2,(H3,7,8,9)
InChIKeyDZZUARKDGCUWGO-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.97
Rot. Bonds1

About 5-(aminomethyl)-1H-pyrazole-3,4-diamine

5-(aminomethyl)-1H-pyrazole-3,4-diamine (PubChem CID 18183271) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyrazole-3,4-diamine
PubChem CID18183271
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name5-(aminomethyl)-1H-pyrazole-3,4-diamine
SMILESNCc1[nH]nc(N)c1N
InChIInChI=1S/C4H9N5/c5-1-2-3(6)4(7)9-8-2/h1,5-6H2,(H3,7,8,9)
InChIKeyDZZUARKDGCUWGO-UHFFFAOYSA-N
XLogP-0.97
TPSA106.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyrazole-3,4-diamine?
The IUPAC name of 5-(aminomethyl)-1H-pyrazole-3,4-diamine (CID 18183271) is 5-(aminomethyl)-1H-pyrazole-3,4-diamine.
What is the SMILES notation for 5-(aminomethyl)-1H-pyrazole-3,4-diamine?
The canonical SMILES for 5-(aminomethyl)-1H-pyrazole-3,4-diamine is NCc1[nH]nc(N)c1N.
What is the InChIKey of 5-(aminomethyl)-1H-pyrazole-3,4-diamine?
The InChIKey is DZZUARKDGCUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c5-1-2-3(6)4(7)9-8-2/h1,5-6H2,(H3,7,8,9).
What are the key properties of 5-(aminomethyl)-1H-pyrazole-3,4-diamine?
5-(aminomethyl)-1H-pyrazole-3,4-diamine has a molecular weight of 127.15 g/mol, XLogP of -0.97, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyrazole-3,4-diamine is sourced from PubChem (CID 18183271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).