1H-pyrrole-2,4-diamine

C4H7N3 — CID 19935251

IUPAC1H-pyrrole-2,4-diamine
SMILESNc1c[nH]c(N)c1
InChIInChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2
InChIKeyRCONKSIPFAYSJB-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.18
Rot. Bonds

About 1H-pyrrole-2,4-diamine

1H-pyrrole-2,4-diamine (PubChem CID 19935251) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1H-pyrrole-2,4-diamine.

Molecular Properties

Compound Name1H-pyrrole-2,4-diamine
PubChem CID19935251
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1H-pyrrole-2,4-diamine
SMILESNc1c[nH]c(N)c1
InChIInChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2
InChIKeyRCONKSIPFAYSJB-UHFFFAOYSA-N
XLogP0.18
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2,4-diamine?
The IUPAC name of 1H-pyrrole-2,4-diamine (CID 19935251) is 1H-pyrrole-2,4-diamine.
What is the SMILES notation for 1H-pyrrole-2,4-diamine?
The canonical SMILES for 1H-pyrrole-2,4-diamine is Nc1c[nH]c(N)c1.
What is the InChIKey of 1H-pyrrole-2,4-diamine?
The InChIKey is RCONKSIPFAYSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c5-3-1-4(6)7-2-3/h1-2,7H,5-6H2.
What are the key properties of 1H-pyrrole-2,4-diamine?
1H-pyrrole-2,4-diamine has a molecular weight of 97.12 g/mol, XLogP of 0.18, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-2,4-diamine is sourced from PubChem (CID 19935251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).