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

C9H16N4 — CID 131089854

IUPACN,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
SMILESC=C(C)CN(C)c1nnc(C)n1C
InChIInChI=1S/C9H16N4/c1-7(2)6-12(4)9-11-10-8(3)13(9)5/h1,6H2,2-5H3
InChIKeyUDNWMGXXRAWSIN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.14
Rot. Bonds3

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

N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine (PubChem CID 131089854) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
PubChem CID131089854
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine
SMILESC=C(C)CN(C)c1nnc(C)n1C
InChIInChI=1S/C9H16N4/c1-7(2)6-12(4)9-11-10-8(3)13(9)5/h1,6H2,2-5H3
InChIKeyUDNWMGXXRAWSIN-UHFFFAOYSA-N
XLogP1.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-en-1-yl)-4-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]piperazine
CID 132426594
4-Ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
CID 163390480
3-Prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
CID 143706140
1,5-Dimethyl-4-(3-methylbut-2-enyl)-1,2,4-triazol-4-ium-3-thiolate
CID 58997932
1-Methyl-3-(2-methylprop-1-enyl)-5-pyrrolidin-1-yl-1,2,4-triazole
CID 90017042
3-(2-Methylprop-1-enyl)-1-propyl-5-pyrrolidin-1-yl-1,2,4-triazole
CID 90017609
1-Methyl-5-(2-methyl-propenyl)-3-pyrrolidin-1-yl-1H-[1,2,4]triazole
CID 90017802
1-ethyl-5-(2-methyl-propenyl)-3-pyrrolidin-1-yl-1H-[1,2,4]triazole
CID 90017980
dimethyl-[1-methyl-5-(2-methyl-propenyl)-1H-[1,2,4]triazol-3-yl]-amine
CID 90025102
Cyclopropyl-methyl-[1-methyl-5-(2-methyl-propenyl)-1H-[1,2,4]triazol-3-yl]-amine
CID 90025421
Ethane;3-ethyl-5-methoxy-4-(2-methylprop-1-enyl)-1,2,4-triazole
CID 142345415
3,5-Dimethyl-4-prop-2-enyl-1,2,4-triazole;ethane
CID 143209078

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine (CID 131089854) is N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine is C=C(C)CN(C)c1nnc(C)n1C.
What is the InChIKey of N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
The InChIKey is UDNWMGXXRAWSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)6-12(4)9-11-10-8(3)13(9)5/h1,6H2,2-5H3.
What are the key properties of N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine?
N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-N-(2-methylprop-2-enyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 131089854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).