4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H19N9O — CID 80902877

IUPAC4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(NN)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H19N9O/c1-6(2)21-11-16-9(15-10(17-11)18-12)14-7(3)8-19-13-5-20(8)4/h5-7H,12H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyUZRWWRGFYWXFSK-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.25
Rot. Bonds6

About 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80902877) has the molecular formula C11H19N9O and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80902877
Molecular FormulaC11H19N9O
Molecular Weight293.34 g/mol
Exact Mass293.17
IUPAC Name4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(NN)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C11H19N9O/c1-6(2)21-11-16-9(15-10(17-11)18-12)14-7(3)8-19-13-5-20(8)4/h5-7H,12H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyUZRWWRGFYWXFSK-UHFFFAOYSA-N
XLogP0.25
TPSA128.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
CID 115974911
6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80822860
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822126
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276448
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80910560
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
(2S)-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80922548
2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80963730

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80902877) is 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(NN)nc(NC(C)c2nncn2C)n1.
What is the InChIKey of 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is UZRWWRGFYWXFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N9O/c1-6(2)21-11-16-9(15-10(17-11)18-12)14-7(3)8-19-13-5-20(8)4/h5-7H,12H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 293.34 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80902877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).