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

C19H23N5O2 — CID 169376265

IUPAC[5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol
SMILESNC1=NC2(CCCCC2)N(c2cccc(-c3ccc(CO)o3)c2)C(N)=N1
InChIInChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)9-2-1-3-10-19)14-6-4-5-13(11-14)16-8-7-15(12-25)26-16/h4-8,11,25H,1-3,9-10,12H2,(H4,20,21,22,23)
InChIKeyYDVCQSYEPGCZSX-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.55
Rot. Bonds3

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

[5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol (PubChem CID 169376265) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol
PubChem CID169376265
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol
SMILESNC1=NC2(CCCCC2)N(c2cccc(-c3ccc(CO)o3)c2)C(N)=N1
InChIInChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)9-2-1-3-10-19)14-6-4-5-13(11-14)16-8-7-15(12-25)26-16/h4-8,11,25H,1-3,9-10,12H2,(H4,20,21,22,23)
InChIKeyYDVCQSYEPGCZSX-UHFFFAOYSA-N
XLogP2.55
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374677
[3-[4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,2-oxazol-5-yl]methanol
CID 169377597
5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378203
5-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376089
5-[3-(2-ethyltetrazol-5-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374248
5-[3-(methylaminomethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373682
[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanesulfonamide
CID 169374573
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
4-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]-1,2-dimethyl-1,2,4-triazolidine-3,5-dione
CID 169377651
azepan-1-yl-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]methanone
CID 169374664
5-(3-butoxyphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169374690
5-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2-methylphenol
CID 169378253

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol?
The IUPAC name of [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol (CID 169376265) is [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol?
The canonical SMILES for [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol is NC1=NC2(CCCCC2)N(c2cccc(-c3ccc(CO)o3)c2)C(N)=N1.
What is the InChIKey of [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol?
The InChIKey is YDVCQSYEPGCZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-17-22-18(21)24(19(23-17)9-2-1-3-10-19)14-6-4-5-13(11-14)16-8-7-15(12-25)26-16/h4-8,11,25H,1-3,9-10,12H2,(H4,20,21,22,23).
What are the key properties of [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol?
[5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol has a molecular weight of 353.43 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenyl]furan-2-yl]methanol is sourced from PubChem (CID 169376265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).