N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine

C8H16N4 — CID 84765458

IUPACN-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine
SMILESCNCc1nnn(C)c1C(C)C
InChIInChI=1S/C8H16N4/c1-6(2)8-7(5-9-3)10-11-12(8)4/h6,9H,5H2,1-4H3
InChIKeyKCSLBGWDLLCPRF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.66
Rot. Bonds3

About N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine

N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine (PubChem CID 84765458) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine
PubChem CID84765458
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine
SMILESCNCc1nnn(C)c1C(C)C
InChIInChI=1S/C8H16N4/c1-6(2)8-7(5-9-3)10-11-12(8)4/h6,9H,5H2,1-4H3
InChIKeyKCSLBGWDLLCPRF-UHFFFAOYSA-N
XLogP0.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,5-dimethyltriazol-4-yl)-N-methylmethanamine
CID 82594201
N-methyl-1-(5-methyl-1-propan-2-yltriazol-4-yl)methanamine
CID 84765459
3-amino-3-(1-methyl-5-propan-2-yltriazol-4-yl)propan-1-ol
CID 84774987
1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 83881094
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
3-methyl-5-(2-methylpropyl)triazol-4-amine
CID 83635419
5-bromo-1-methyl-4-propan-2-yltriazole
CID 69384327
N-methyl-1-[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methanamine
CID 104766003
3-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 146142132
[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82208217
1-(1-butan-2-yltriazol-4-yl)-N-methylmethanamine
CID 66194250
4-(4-fluorophenyl)-1-methyl-5-propan-2-yltriazole
CID 176723263

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine (CID 84765458) is N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine is CNCc1nnn(C)c1C(C)C.
What is the InChIKey of N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine?
The InChIKey is KCSLBGWDLLCPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)8-7(5-9-3)10-11-12(8)4/h6,9H,5H2,1-4H3.
What are the key properties of N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine?
N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-5-propan-2-yltriazol-4-yl)methanamine is sourced from PubChem (CID 84765458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).