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

C6H13N5 — CID 23298735

IUPAC5-(aminomethyl)-1-ethylpyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1CN
InChIInChI=1S/C6H13N5/c1-2-11-4(3-7)5(8)6(9)10-11/h2-3,7-8H2,1H3,(H2,9,10)
InChIKeyAYZPUSPMNFYXDM-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.47
Rot. Bonds2

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

5-(aminomethyl)-1-ethylpyrazole-3,4-diamine (PubChem CID 23298735) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethylpyrazole-3,4-diamine
PubChem CID23298735
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name5-(aminomethyl)-1-ethylpyrazole-3,4-diamine
SMILESCCn1nc(N)c(N)c1CN
InChIInChI=1S/C6H13N5/c1-2-11-4(3-7)5(8)6(9)10-11/h2-3,7-8H2,1H3,(H2,9,10)
InChIKeyAYZPUSPMNFYXDM-UHFFFAOYSA-N
XLogP-0.47
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine?
The IUPAC name of 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine (CID 23298735) is 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine.
What is the SMILES notation for 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine?
The canonical SMILES for 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine is CCn1nc(N)c(N)c1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine?
The InChIKey is AYZPUSPMNFYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-2-11-4(3-7)5(8)6(9)10-11/h2-3,7-8H2,1H3,(H2,9,10).
What are the key properties of 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine?
5-(aminomethyl)-1-ethylpyrazole-3,4-diamine has a molecular weight of 155.20 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethylpyrazole-3,4-diamine is sourced from PubChem (CID 23298735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).