3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile

C7H10N4 — CID 130002220

IUPAC3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile
SMILESN#CCC(N)c1cc(N)c[nH]1
InChIInChI=1S/C7H10N4/c8-2-1-6(10)7-3-5(9)4-11-7/h3-4,6,11H,1,9-10H2
InChIKeyIYVKJGGLHDMJSQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.51
Rot. Bonds2

About 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile

3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile (PubChem CID 130002220) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile
PubChem CID130002220
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile
SMILESN#CCC(N)c1cc(N)c[nH]1
InChIInChI=1S/C7H10N4/c8-2-1-6(10)7-3-5(9)4-11-7/h3-4,6,11H,1,9-10H2
InChIKeyIYVKJGGLHDMJSQ-UHFFFAOYSA-N
XLogP0.51
TPSA91.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-oxo-1H-pyridin-2-yl)propanenitrile
CID 130001746
(3S)-3-amino-3-(5-amino-1H-pyrrol-3-yl)propanenitrile
CID 130971587
3-amino-3-(4-aminothiophen-2-yl)propanenitrile
CID 130000433
(3S)-3-amino-3-(4-aminothiophen-2-yl)propanenitrile
CID 130699826
3-amino-3-(5-oxo-2H-1,2-oxazol-3-yl)propanenitrile
CID 90050584
(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
CID 130648574
(3R)-3-amino-3-(1H-1,2,4-triazol-5-yl)propanenitrile
CID 90050625
(3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile
CID 130744222
3-amino-3-(4-hydroxy-1H-pyrrol-3-yl)propanenitrile
CID 130002598
(3R)-3-amino-3-(5-amino-2-chloro-3-pyridinyl)propanenitrile
CID 55273941
(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile
CID 130624691
3-amino-3-(4-amino-3-chlorophenyl)propanenitrile
CID 55268479

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile?
The IUPAC name of 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile (CID 130002220) is 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile is N#CCC(N)c1cc(N)c[nH]1.
What is the InChIKey of 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile?
The InChIKey is IYVKJGGLHDMJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c8-2-1-6(10)7-3-5(9)4-11-7/h3-4,6,11H,1,9-10H2.
What are the key properties of 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile?
3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile has a molecular weight of 150.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-amino-1H-pyrrol-2-yl)propanenitrile is sourced from PubChem (CID 130002220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).