N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine

C8H14N4 — CID 130248507

IUPACN,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
SMILESC/C=C\n1nc(C)nc1N(C)C
InChIInChI=1S/C8H14N4/c1-5-6-12-8(11(3)4)9-7(2)10-12/h5-6H,1-4H3/b6-5-
InChIKeyINSSWHVMHRSSGO-WAYWQWQTSA-N
MW166.23 g/mol
LogP1.14
Rot. Bonds2

About N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine

N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine (PubChem CID 130248507) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
PubChem CID130248507
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
SMILESC/C=C\n1nc(C)nc1N(C)C
InChIInChI=1S/C8H14N4/c1-5-6-12-8(11(3)4)9-7(2)10-12/h5-6H,1-4H3/b6-5-
InChIKeyINSSWHVMHRSSGO-WAYWQWQTSA-N
XLogP1.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The IUPAC name of N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine (CID 130248507) is N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine is C/C=C\n1nc(C)nc1N(C)C.
What is the InChIKey of N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The InChIKey is INSSWHVMHRSSGO-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14N4/c1-5-6-12-8(11(3)4)9-7(2)10-12/h5-6H,1-4H3/b6-5-.
What are the key properties of N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine has a molecular weight of 166.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130248507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).