N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine

C18H20N6 — CID 146288452

IUPACN-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine
SMILESCCCCn1ccc2c(Nc3c(C)ccc4n[nH]nc34)nccc21
InChIInChI=1S/C18H20N6/c1-3-4-10-24-11-8-13-15(24)7-9-19-18(13)20-16-12(2)5-6-14-17(16)22-23-21-14/h5-9,11H,3-4,10H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyHULSEKTXVXDJJE-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.16
Rot. Bonds5

About N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine

N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine (PubChem CID 146288452) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine.

Molecular Properties

Compound NameN-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine
PubChem CID146288452
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine
SMILESCCCCn1ccc2c(Nc3c(C)ccc4n[nH]nc34)nccc21
InChIInChI=1S/C18H20N6/c1-3-4-10-24-11-8-13-15(24)7-9-19-18(13)20-16-12(2)5-6-14-17(16)22-23-21-14/h5-9,11H,3-4,10H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyHULSEKTXVXDJJE-UHFFFAOYSA-N
XLogP4.16
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
CID 146288647
N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-1,7-dimethylindazol-4-amine
CID 146288451
1-butyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288668
N-(2,4-dimethyl-3-pyridinyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
CID 153376876
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821
N-(2,4-dimethyl-3-pyridinyl)-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288620
1-butyl-4-[(5-methyl-1H-indazol-4-yl)methyl]pyrrolo[3,2-c]pyridine
CID 158765655
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
2-[4-[(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)amino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283900

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine?
The IUPAC name of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine (CID 146288452) is N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine.
What is the SMILES notation for N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine?
The canonical SMILES for N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine is CCCCn1ccc2c(Nc3c(C)ccc4n[nH]nc34)nccc21.
What is the InChIKey of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine?
The InChIKey is HULSEKTXVXDJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-3-4-10-24-11-8-13-15(24)7-9-19-18(13)20-16-12(2)5-6-14-17(16)22-23-21-14/h5-9,11H,3-4,10H2,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine?
N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine has a molecular weight of 320.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpyrrolo[3,2-c]pyridin-4-yl)-5-methyl-2H-benzotriazol-4-amine is sourced from PubChem (CID 146288452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).