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

C15H21N7O — CID 169375975

IUPAC[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(N2C(N)=NC(N)=NC23CCCCC3)cc1
InChIInChI=1S/C15H21N7O/c16-12-20-13(17)22(15(21-12)8-2-1-3-9-15)11-6-4-10(5-7-11)19-14(18)23/h4-7H,1-3,8-9H2,(H3,18,19,23)(H4,16,17,20,21)
InChIKeyHFJVJFYLSUCKPY-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.29
Rot. Bonds2

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

[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea (PubChem CID 169375975) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea.

Molecular Properties

Compound Name[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea
PubChem CID169375975
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea
SMILESNC(=O)Nc1ccc(N2C(N)=NC(N)=NC23CCCCC3)cc1
InChIInChI=1S/C15H21N7O/c16-12-20-13(17)22(15(21-12)8-2-1-3-9-15)11-6-4-10(5-7-11)19-14(18)23/h4-7H,1-3,8-9H2,(H3,18,19,23)(H4,16,17,20,21)
InChIKeyHFJVJFYLSUCKPY-UHFFFAOYSA-N
XLogP1.29
TPSA135.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 169376681
N-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-4-methylbenzamide
CID 169375303
[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]sulfonylurea
CID 169373598
4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzenesulfinic acid
CID 169376707
5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride
CID 21177168
2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]sulfanylacetic acid
CID 169376446
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
N-cyclopropyl-2-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]acetamide
CID 169374629
5-[4-(4-methylphenyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169375974
4-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenoxy]benzoic acid
CID 169377884
[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 169377406
5-[4-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374159

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea?
The IUPAC name of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea (CID 169375975) is [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea.
What is the SMILES notation for [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea?
The canonical SMILES for [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea is NC(=O)Nc1ccc(N2C(N)=NC(N)=NC23CCCCC3)cc1.
What is the InChIKey of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea?
The InChIKey is HFJVJFYLSUCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c16-12-20-13(17)22(15(21-12)8-2-1-3-9-15)11-6-4-10(5-7-11)19-14(18)23/h4-7H,1-3,8-9H2,(H3,18,19,23)(H4,16,17,20,21).
What are the key properties of [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea?
[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea has a molecular weight of 315.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]urea is sourced from PubChem (CID 169375975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).