[3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone

C18H23N5O — CID 127025383

IUPAC[3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone
SMILESNC1=NC2(CCCCC2)N=C(Nc2cccc(C(=O)C3CC3)c2)N1
InChIInChI=1S/C18H23N5O/c19-16-21-17(23-18(22-16)9-2-1-3-10-18)20-14-6-4-5-13(11-14)15(24)12-7-8-12/h4-6,11-12H,1-3,7-10H2,(H4,19,20,21,22,23)
InChIKeyGXMFARBQRISZDB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.63
Rot. Bonds3

About [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone

[3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone (PubChem CID 127025383) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone
PubChem CID127025383
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone
SMILESNC1=NC2(CCCCC2)N=C(Nc2cccc(C(=O)C3CC3)c2)N1
InChIInChI=1S/C18H23N5O/c19-16-21-17(23-18(22-16)9-2-1-3-10-18)20-14-6-4-5-13(11-14)15(24)12-7-8-12/h4-6,11-12H,1-3,7-10H2,(H4,19,20,21,22,23)
InChIKeyGXMFARBQRISZDB-UHFFFAOYSA-N
XLogP2.63
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone with MolForge

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Related Compounds

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CID 295256
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1-[3-[(2-Amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]butan-1-one
CID 118464426
3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]-N-ethylbenzamide
CID 118464427
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CID 16073788
bis[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methanone
CID 9997892
3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzamide
CID 16073785
N-(3-acetylphenyl)-N'-(4-methylphenyl)urea
CID 2787268
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CID 135433238
1-[3-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]-3-phenylurea
CID 11256812
(E)-3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-phenylprop-2-en-1-one;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone?
The IUPAC name of [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone (CID 127025383) is [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone.
What is the SMILES notation for [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone?
The canonical SMILES for [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone is NC1=NC2(CCCCC2)N=C(Nc2cccc(C(=O)C3CC3)c2)N1.
What is the InChIKey of [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone?
The InChIKey is GXMFARBQRISZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-16-21-17(23-18(22-16)9-2-1-3-10-18)20-14-6-4-5-13(11-14)15(24)12-7-8-12/h4-6,11-12H,1-3,7-10H2,(H4,19,20,21,22,23).
What are the key properties of [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone?
[3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone has a molecular weight of 325.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenyl]-cyclopropylmethanone is sourced from PubChem (CID 127025383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).