N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine

C10H16N4 — CID 139612152

IUPACN,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine
SMILESC=C(C)CN(CC(=C)C)c1ncn[nH]1
InChIInChI=1S/C10H16N4/c1-8(2)5-14(6-9(3)4)10-11-7-12-13-10/h7H,1,3,5-6H2,2,4H3,(H,11,12,13)
InChIKeyMYPLLRQUQSUXJT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.76
Rot. Bonds5

About N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine

N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine (PubChem CID 139612152) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine
PubChem CID139612152
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine
SMILESC=C(C)CN(CC(=C)C)c1ncn[nH]1
InChIInChI=1S/C10H16N4/c1-8(2)5-14(6-9(3)4)10-11-7-12-13-10/h7H,1,3,5-6H2,2,4H3,(H,11,12,13)
InChIKeyMYPLLRQUQSUXJT-UHFFFAOYSA-N
XLogP1.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine (CID 139612152) is N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine is C=C(C)CN(CC(=C)C)c1ncn[nH]1.
What is the InChIKey of N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is MYPLLRQUQSUXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(2)5-14(6-9(3)4)10-11-7-12-13-10/h7H,1,3,5-6H2,2,4H3,(H,11,12,13).
What are the key properties of N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine?
N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 192.27 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylprop-2-enyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 139612152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).