2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile

C13H11N5O2 — CID 135030207

IUPAC2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2ccccc2C1C1C(=O)NN=C1N
InChIInChI=1S/C13H11N5O2/c14-5-7-9(10-11(15)17-18-13(10)19)6-3-1-2-4-8(6)20-12(7)16/h1-4,9-10H,16H2,(H2,15,17)(H,18,19)
InChIKeyLPICFOCVHOQKSB-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.13
Rot. Bonds1

About 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile

2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile (PubChem CID 135030207) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile
PubChem CID135030207
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2ccccc2C1C1C(=O)NN=C1N
InChIInChI=1S/C13H11N5O2/c14-5-7-9(10-11(15)17-18-13(10)19)6-3-1-2-4-8(6)20-12(7)16/h1-4,9-10H,16H2,(H2,15,17)(H,18,19)
InChIKeyLPICFOCVHOQKSB-UHFFFAOYSA-N
XLogP-0.13
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-amino-4-(5-bromo-2-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 8613647
2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
CID 102204745
2-amino-4-(1,3-dioxoinden-2-yl)-6,8-diiodo-4H-chromene-3-carbonitrile
CID 102429861
2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 4645991
(4R)-2,6-diamino-4-(2-fluorophenyl)-4H-chromene-3-carbonitrile
CID 902357
2-amino-4-(2-bromophenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3655717
(1S,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 7730187
(1R,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 6541116
(4S)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 719869
(3aR,4R,7aS)-6-amino-4-(2-chlorophenyl)-3-(trifluoromethyl)-1,3a,4,7a-tetrahydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40547096
(4R)-2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 749460
(4S)-2,7-diamino-4-cyclohexyl-4H-chromene-3-carbonitrile
CID 717008

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile (CID 135030207) is 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2ccccc2C1C1C(=O)NN=C1N.
What is the InChIKey of 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile?
The InChIKey is LPICFOCVHOQKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-5-7-9(10-11(15)17-18-13(10)19)6-3-1-2-4-8(6)20-12(7)16/h1-4,9-10H,16H2,(H2,15,17)(H,18,19).
What are the key properties of 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile?
2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 135030207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).