N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine

C9H18N4 — CID 79256368

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCn1cnnc1CNC(C)(C)C
InChIInChI=1S/C9H18N4/c1-5-13-7-11-12-8(13)6-10-9(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeyRCGOZHKSQKVZTM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.19
Rot. Bonds3

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 79256368) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID79256368
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
SMILESCCn1cnnc1CNC(C)(C)C
InChIInChI=1S/C9H18N4/c1-5-13-7-11-12-8(13)6-10-9(2,3)4/h7,10H,5-6H2,1-4H3
InChIKeyRCGOZHKSQKVZTM-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine;hydroiodide
CID 110966317
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 113260218
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
CID 106303313
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 106302521
5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-4,4-dimethylpentanenitrile
CID 103698578
3-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952653
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrimidine-4,6-diamine
CID 106304567
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 106301790
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 106303289

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine (CID 79256368) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine is CCn1cnnc1CNC(C)(C)C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is RCGOZHKSQKVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-5-13-7-11-12-8(13)6-10-9(2,3)4/h7,10H,5-6H2,1-4H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79256368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).