1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine

C7H15N5 — CID 123563133

IUPAC1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine
SMILES[H]/N=c1\nc(N)n(C(C)C)n1CC
InChIInChI=1S/C7H15N5/c1-4-11-6(8)10-7(9)12(11)5(2)3/h5H,4H2,1-3H3,(H3,8,9,10)
InChIKeyNOWGRWZQVMPLEZ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.35
Rot. Bonds2

About 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine

1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 123563133) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID123563133
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine
SMILES[H]/N=c1\nc(N)n(C(C)C)n1CC
InChIInChI=1S/C7H15N5/c1-4-11-6(8)10-7(9)12(11)5(2)3/h5H,4H2,1-3H3,(H3,8,9,10)
InChIKeyNOWGRWZQVMPLEZ-UHFFFAOYSA-N
XLogP0.35
TPSA72.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Amino-1-propan-2-ylguanidine
CID 86084669
5-Imino-1,2-di(propan-2-yl)-1,2,4-triazol-3-amine
CID 118002806
3,4-di(propan-2-yl)-2H-tetrazol-5-amine
CID 142639925
1-Amino-3-(diaminomethylidene)-1-propan-2-ylguanidine
CID 144894440
5-Methyl-2-propan-2-yl-1,5-dihydro-1,2,4-triazol-3-amine
CID 153551715
1-(2-Amino-4,5-dihydroimidazol-1-yl)-1,2-di(propan-2-yl)guanidine
CID 153739518
1-Amino-2-carbamimidoyl-1-propylguanidine
CID 176519542

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine (CID 123563133) is 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine is [H]/N=c1\nc(N)n(C(C)C)n1CC.
What is the InChIKey of 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is NOWGRWZQVMPLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-4-11-6(8)10-7(9)12(11)5(2)3/h5H,4H2,1-3H3,(H3,8,9,10).
What are the key properties of 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine?
1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 169.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-imino-2-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 123563133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).