N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline

C18H21N5 — CID 167762335

IUPACN,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline
SMILESCC(Cn1cc(-c2ccc(N(C)C)cc2)nn1)c1ccccn1
InChIInChI=1S/C18H21N5/c1-14(17-6-4-5-11-19-17)12-23-13-18(20-21-23)15-7-9-16(10-8-15)22(2)3/h4-11,13-14H,12H2,1-3H3
InChIKeyVGIKUPMVVNPRKL-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.21
Rot. Bonds5

About N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline

N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline (PubChem CID 167762335) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline
PubChem CID167762335
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline
SMILESCC(Cn1cc(-c2ccc(N(C)C)cc2)nn1)c1ccccn1
InChIInChI=1S/C18H21N5/c1-14(17-6-4-5-11-19-17)12-23-13-18(20-21-23)15-7-9-16(10-8-15)22(2)3/h4-11,13-14H,12H2,1-3H3
InChIKeyVGIKUPMVVNPRKL-UHFFFAOYSA-N
XLogP3.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine
CID 177085297
1-(2,2-diethoxyethyl)-4-phenyltriazole
CID 134693344
2-[4-(4-methylphenyl)triazol-1-yl]ethane-1,1-diol
CID 134693308
(S)-[4-(dimethylamino)phenyl]-pyridin-2-ylmethanol
CID 10680871
(2R)-1-[4-(4-propan-2-ylphenyl)triazol-1-yl]propan-2-ol
CID 137411369
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
CID 11876280
2,4-dimethyl-5-(4-pyridin-2-yltriazol-1-yl)pentanal
CID 145226871
1-(4-phenyltriazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 139241140
4-[(E)-4-iodo-3-pyridin-2-ylbut-1-enyl]-N,N-dimethylaniline
CID 91871787
2-pyridin-2-ylpropan-1-amine
CID 21481533
1-[(4-fluorophenyl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 42199626
(2S)-2-amino-3-[4-(4-ethoxyphenyl)triazol-1-yl]propan-1-ol
CID 156767783

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline (CID 167762335) is N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline is CC(Cn1cc(-c2ccc(N(C)C)cc2)nn1)c1ccccn1.
What is the InChIKey of N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline?
The InChIKey is VGIKUPMVVNPRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14(17-6-4-5-11-19-17)12-23-13-18(20-21-23)15-7-9-16(10-8-15)22(2)3/h4-11,13-14H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline?
N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline has a molecular weight of 307.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(2-pyridin-2-ylpropyl)triazol-4-yl]aniline is sourced from PubChem (CID 167762335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).