(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine

C9H16N4 — CID 103392253

IUPAC(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine
SMILESC/C(=C/c1ncnn1C(C)C)CN
InChIInChI=1S/C9H16N4/c1-7(2)13-9(11-6-12-13)4-8(3)5-10/h4,6-7H,5,10H2,1-3H3/b8-4-
InChIKeyJKJAZFULBZPHFE-YWEYNIOJSA-N
MW180.25 g/mol
LogP1.22
Rot. Bonds3

About (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine

(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine (PubChem CID 103392253) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine
PubChem CID103392253
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine
SMILESC/C(=C/c1ncnn1C(C)C)CN
InChIInChI=1S/C9H16N4/c1-7(2)13-9(11-6-12-13)4-8(3)5-10/h4,6-7H,5,10H2,1-3H3/b8-4-
InChIKeyJKJAZFULBZPHFE-YWEYNIOJSA-N
XLogP1.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-3-ylidenemethyl)-1-propan-2-yl-1,2,4-triazole
CID 79880318
2-methyl-3-(3-propan-2-ylimidazol-4-yl)prop-2-en-1-amine
CID 79329495
1-propan-2-yl-5-prop-1-en-2-yl-1,2,4-triazole
CID 115011837
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
2-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 79329731
(2-propan-2-yl-1,2,4-triazol-3-yl)boronic acid
CID 126978964
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
2-amino-1-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-one
CID 84768773
1-[1-(aminomethyl)cyclobutyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116600500
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
(2S)-2-amino-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propanoic acid
CID 106702633

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine?
The IUPAC name of (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine (CID 103392253) is (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine?
The canonical SMILES for (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine is C/C(=C/c1ncnn1C(C)C)CN.
What is the InChIKey of (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine?
The InChIKey is JKJAZFULBZPHFE-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)13-9(11-6-12-13)4-8(3)5-10/h4,6-7H,5,10H2,1-3H3/b8-4-.
What are the key properties of (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine?
(Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 103392253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).