N,3,5-trimethyltriazol-4-amine

C5H10N4 — CID 118346509

IUPACN,3,5-trimethyltriazol-4-amine
SMILESCNc1c(C)nnn1C
InChIInChI=1S/C5H10N4/c1-4-5(6-2)9(3)8-7-4/h6H,1-3H3
InChIKeyXSKZDWHSENZLBB-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.17
Rot. Bonds1

About N,3,5-trimethyltriazol-4-amine

N,3,5-trimethyltriazol-4-amine (PubChem CID 118346509) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N,3,5-trimethyltriazol-4-amine.

Molecular Properties

Compound NameN,3,5-trimethyltriazol-4-amine
PubChem CID118346509
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN,3,5-trimethyltriazol-4-amine
SMILESCNc1c(C)nnn1C
InChIInChI=1S/C5H10N4/c1-4-5(6-2)9(3)8-7-4/h6H,1-3H3
InChIKeyXSKZDWHSENZLBB-UHFFFAOYSA-N
XLogP0.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1,4-dimethyltriazole
CID 126758944
N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62189145
N,1,3-trimethyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrazol-5-amine
CID 62195408
2-[cyanomethyl-[[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]methyl]amino]acetonitrile
CID 62182873
1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine
CID 82594201
4-[[cyclohexyl(ethyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 55046155
(4-bromo-1,3-dimethylpyrazol-5-yl)urea
CID 130890934
N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine
CID 62189467
N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 127292748
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]propanamide
CID 43554343
4-chloro-1,5-dimethyltriazole
CID 69384820
4-amino-1,3-dimethyl-5-(sulfamoylamino)pyrazole
CID 114958732

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyltriazol-4-amine?
The IUPAC name of N,3,5-trimethyltriazol-4-amine (CID 118346509) is N,3,5-trimethyltriazol-4-amine.
What is the SMILES notation for N,3,5-trimethyltriazol-4-amine?
The canonical SMILES for N,3,5-trimethyltriazol-4-amine is CNc1c(C)nnn1C.
What is the InChIKey of N,3,5-trimethyltriazol-4-amine?
The InChIKey is XSKZDWHSENZLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-4-5(6-2)9(3)8-7-4/h6H,1-3H3.
What are the key properties of N,3,5-trimethyltriazol-4-amine?
N,3,5-trimethyltriazol-4-amine has a molecular weight of 126.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyltriazol-4-amine is sourced from PubChem (CID 118346509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).