(E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine

C7H10N4 — CID 143917790

IUPAC(E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine
SMILESC=Cn1nncc1/C(N)=C\C
InChIInChI=1S/C7H10N4/c1-3-6(8)7-5-9-10-11(7)4-2/h3-5H,2,8H2,1H3/b6-3+
InChIKeyROQUITMSJYDCNX-ZZXKWVIFSA-N
MW150.18 g/mol
LogP0.70
Rot. Bonds2

About (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine

(E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine (PubChem CID 143917790) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine
PubChem CID143917790
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name(E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine
SMILESC=Cn1nncc1/C(N)=C\C
InChIInChI=1S/C7H10N4/c1-3-6(8)7-5-9-10-11(7)4-2/h3-5H,2,8H2,1H3/b6-3+
InChIKeyROQUITMSJYDCNX-ZZXKWVIFSA-N
XLogP0.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Z)-5,5-difluoro-1-(1-methyltriazol-4-yl)pent-1-enyl]ethanimine
CID 166966228
7-(2H-triazol-4-yl)-3H-azepine
CID 91200060
1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole
CID 89271238
Triazolo[1,5-a]azocine
CID 91143004
1-methyl-4-[(E)-prop-1-enyl]triazole
CID 134458623
1-methyl-5-[(Z)-prop-1-enyl]triazole
CID 134466737
6,7-Dihydrotriazolo[1,5-a]pyridine
CID 135189508
5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane
CID 143195751
5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole
CID 143195752
Ethane;1,9,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
CID 143466265
4-[(E)-3,3-dimethylbut-1-enyl]-1-methyltriazole
CID 146178460
ethane;(Z)-2-methyl-N-[(Z)-1-(1-methyltriazol-4-yl)prop-1-enyl]but-2-en-1-imine
CID 168262382

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine?
The IUPAC name of (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine (CID 143917790) is (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine is C=Cn1nncc1/C(N)=C\C.
What is the InChIKey of (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine?
The InChIKey is ROQUITMSJYDCNX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H10N4/c1-3-6(8)7-5-9-10-11(7)4-2/h3-5H,2,8H2,1H3/b6-3+.
What are the key properties of (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine?
(E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine has a molecular weight of 150.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-ethenyltriazol-4-yl)prop-1-en-1-amine is sourced from PubChem (CID 143917790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).