5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C16H19BrN6 — CID 169375568

IUPAC5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cc(Br)c3[nH]ccc3c2)C(N)=N1
InChIInChI=1S/C16H19BrN6/c17-12-9-11(8-10-4-7-20-13(10)12)23-15(19)21-14(18)22-16(23)5-2-1-3-6-16/h4,7-9,20H,1-3,5-6H2,(H4,18,19,21,22)
InChIKeyYUFUSPCNHYYRJB-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.04
Rot. Bonds1

About 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169375568) has the molecular formula C16H19BrN6 and a molecular weight of 375.27 g/mol. Its IUPAC name is 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169375568
Molecular FormulaC16H19BrN6
Molecular Weight375.27 g/mol
Exact Mass374.09
IUPAC Name5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESNC1=NC2(CCCCC2)N(c2cc(Br)c3[nH]ccc3c2)C(N)=N1
InChIInChI=1S/C16H19BrN6/c17-12-9-11(8-10-4-7-20-13(10)12)23-15(19)21-14(18)22-16(23)5-2-1-3-6-16/h4,7-9,20H,1-3,5-6H2,(H4,18,19,21,22)
InChIKeyYUFUSPCNHYYRJB-UHFFFAOYSA-N
XLogP3.04
TPSA95.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-2H-isoquinolin-1-one
CID 169377722
5-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine chloride
CID 21177168
2-bromo-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)benzoic acid
CID 169376493
5-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373580
5-phenyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 2843847
2,6-dichloro-4-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)phenol
CID 169378221
5-[3,5-bis(methylsulfonyl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376370
5-(4-bromo-2,3-dichlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373845
5-quinolin-6-yl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373654
5-[3-(1H-imidazol-2-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169378203
5-(4,6-dibromo-2,3-dichlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373941
5-(2-bromo-4,5-difluorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169373694

Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169375568) is 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is NC1=NC2(CCCCC2)N(c2cc(Br)c3[nH]ccc3c2)C(N)=N1.
What is the InChIKey of 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is YUFUSPCNHYYRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN6/c17-12-9-11(8-10-4-7-20-13(10)12)23-15(19)21-14(18)22-16(23)5-2-1-3-6-16/h4,7-9,20H,1-3,5-6H2,(H4,18,19,21,22).
What are the key properties of 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 375.27 g/mol, XLogP of 3.04, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-1H-indol-5-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169375568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).