N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine

C9H11N5 — CID 122390454

IUPACN,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine
SMILESCN(C)c1ccc(-c2cn[nH]n2)nc1
InChIInChI=1S/C9H11N5/c1-14(2)7-3-4-8(10-5-7)9-6-11-13-12-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyPETBIQCZSSVTSC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.93
Rot. Bonds2

About N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine

N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine (PubChem CID 122390454) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine
PubChem CID122390454
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine
SMILESCN(C)c1ccc(-c2cn[nH]n2)nc1
InChIInChI=1S/C9H11N5/c1-14(2)7-3-4-8(10-5-7)9-6-11-13-12-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyPETBIQCZSSVTSC-UHFFFAOYSA-N
XLogP0.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Pyrrolidinoethyl)pyridine
CID 238317
4-(1H-1,2,3-triazol-4-yl)pyridine
CID 9942176
2-(2H-Tetrazol-5-yl)pyridine
CID 320267
[1,2,3]Triazolo[1,5-a]pyridine
CID 219470
2-(1h-[1,2,3]Triazol-4-yl)pyridine
CID 9812807
1,2,3-Triazole analogue, 27
CID 9833992
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
2-methyl-6-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964176
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
alpha-Nicotine
CID 212128
1H-1,2,3-Triazlo(4,5-c)pyridine
CID 136084

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine?
The IUPAC name of N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine (CID 122390454) is N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine is CN(C)c1ccc(-c2cn[nH]n2)nc1.
What is the InChIKey of N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine?
The InChIKey is PETBIQCZSSVTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14(2)7-3-4-8(10-5-7)9-6-11-13-12-9/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine?
N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine has a molecular weight of 189.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(2H-triazol-4-yl)pyridin-3-amine is sourced from PubChem (CID 122390454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).