N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine

C8H14N4 — CID 141381954

IUPACN,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCNc1nc(C=C(C)C)n(C)n1
InChIInChI=1S/C8H14N4/c1-6(2)5-7-10-8(9-3)11-12(7)4/h5H,1-4H3,(H,9,11)
InChIKeyYOJIKHJYGOIWAT-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.28
Rot. Bonds2

About N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine

N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (PubChem CID 141381954) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
PubChem CID141381954
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
SMILESCNc1nc(C=C(C)C)n(C)n1
InChIInChI=1S/C8H14N4/c1-6(2)5-7-10-8(9-3)11-12(7)4/h5H,1-4H3,(H,9,11)
InChIKeyYOJIKHJYGOIWAT-UHFFFAOYSA-N
XLogP1.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,5-Dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
CID 19612494
dimethyl-[1-methyl-5-(2-methyl-propenyl)-1H-[1,2,4]triazol-3-yl]-amine
CID 90025102
N-(cyclopropylmethyl)-1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine
CID 118093208
N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 118675366
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
CID 137468650
1,5-Bis(ethenyl)-1,2,4-triazol-3-amine;ethane
CID 143819261
[3-propan-2-yl-5-[(Z)-prop-1-enyl]-1,2,4-triazol-1-yl]methanimine
CID 145675784
5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole
CID 163439948
2-[5-[(Z)-but-2-en-2-yl]-1,2,4-triazol-1-yl]propan-2-amine
CID 167236857
1-(5-ethenyl-1,2,4-triazol-1-yl)-N-methylmethanamine
CID 170025272
(E)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)but-2-en-1-amine
CID 66044432
4-(3,5-Dimethyl-1,2,4-triazol-1-yl)but-2-en-1-amine
CID 77110274

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine (CID 141381954) is N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is CNc1nc(C=C(C)C)n(C)n1.
What is the InChIKey of N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
The InChIKey is YOJIKHJYGOIWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)5-7-10-8(9-3)11-12(7)4/h5H,1-4H3,(H,9,11).
What are the key properties of N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine?
N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 141381954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).