(Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine

C11H18N4 — CID 174358222

IUPAC(Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine
SMILESC/C=C/n1ncnc1/C=C(\NC)C(C)C
InChIInChI=1S/C11H18N4/c1-5-6-15-11(13-8-14-15)7-10(12-4)9(2)3/h5-9,12H,1-4H3/b6-5+,10-7-
InChIKeyVLJANLFVHGQNBZ-LXGGSRJLSA-N
MW206.29 g/mol
LogP1.99
Rot. Bonds4

About (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine

(Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine (PubChem CID 174358222) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine
PubChem CID174358222
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine
SMILESC/C=C/n1ncnc1/C=C(\NC)C(C)C
InChIInChI=1S/C11H18N4/c1-5-6-15-11(13-8-14-15)7-10(12-4)9(2)3/h5-9,12H,1-4H3/b6-5+,10-7-
InChIKeyVLJANLFVHGQNBZ-LXGGSRJLSA-N
XLogP1.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine?
The IUPAC name of (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine (CID 174358222) is (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine?
The canonical SMILES for (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine is C/C=C/n1ncnc1/C=C(\NC)C(C)C.
What is the InChIKey of (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine?
The InChIKey is VLJANLFVHGQNBZ-LXGGSRJLSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-6-15-11(13-8-14-15)7-10(12-4)9(2)3/h5-9,12H,1-4H3/b6-5+,10-7-.
What are the key properties of (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine?
(Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-1-[2-[(E)-prop-1-enyl]-1,2,4-triazol-3-yl]but-1-en-2-amine is sourced from PubChem (CID 174358222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).