2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide

C10H15N9O — CID 80788657

IUPAC2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCNc1nc(NC(C)C(N)=O)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N9O/c1-3-13-8-16-9(15-6(2)7(11)20)18-10(17-8)19-5-12-4-14-19/h4-6H,3H2,1-2H3,(H2,11,20)(H2,13,15,16,17,18)
InChIKeyPXVQZRFCODUPCU-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.83
Rot. Bonds6

About 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide

2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80788657) has the molecular formula C10H15N9O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80788657
Molecular FormulaC10H15N9O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCNc1nc(NC(C)C(N)=O)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N9O/c1-3-13-8-16-9(15-6(2)7(11)20)18-10(17-8)19-5-12-4-14-19/h4-6H,3H2,1-2H3,(H2,11,20)(H2,13,15,16,17,18)
InChIKeyPXVQZRFCODUPCU-UHFFFAOYSA-N
XLogP-0.83
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide with MolForge

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Related Compounds

2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80787468
2-N-(1-ethoxypropan-2-yl)-4-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80792439
4-N-ethyl-2-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 104767007
4-N-ethyl-2-N-(4-methylpentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80810899
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
4-(2,2-dimethylhydrazinyl)-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 83025136
N-ethyl-4-propan-2-ylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80885559
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylbutanamide
CID 106346838
2-N-ethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 115988800
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
2-N-pentan-3-yl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80750141
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide (CID 80788657) is 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide is CCNc1nc(NC(C)C(N)=O)nc(-n2cncn2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is PXVQZRFCODUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N9O/c1-3-13-8-16-9(15-6(2)7(11)20)18-10(17-8)19-5-12-4-14-19/h4-6H,3H2,1-2H3,(H2,11,20)(H2,13,15,16,17,18).
What are the key properties of 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide?
2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 277.29 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80788657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).