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

C10H15N9O — CID 80814266

IUPAC3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N9O/c1-18(2)7(20)3-4-13-9-15-8(11)16-10(17-9)19-6-12-5-14-19/h5-6H,3-4H2,1-2H3,(H3,11,13,15,16,17)
InChIKeyBAQHTOJTBWKLSF-UHFFFAOYSA-N
MW277.29 g/mol
LogP-1.08
Rot. Bonds5

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

3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide (PubChem CID 80814266) has the molecular formula C10H15N9O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
PubChem CID80814266
Molecular FormulaC10H15N9O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C10H15N9O/c1-18(2)7(20)3-4-13-9-15-8(11)16-10(17-9)19-6-12-5-14-19/h5-6H,3-4H2,1-2H3,(H3,11,13,15,16,17)
InChIKeyBAQHTOJTBWKLSF-UHFFFAOYSA-N
XLogP-1.08
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-N-[2-[ethyl(methyl)amino]ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80832325
2-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215607
2-N-[2-(dimethylamino)-2-methylpropyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80812261
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80841727
2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80835736
2-N-[2-(1,3-thiazol-4-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80846480
1-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835940
2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80813858
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide (CID 80814266) is 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is BAQHTOJTBWKLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N9O/c1-18(2)7(20)3-4-13-9-15-8(11)16-10(17-9)19-6-12-5-14-19/h5-6H,3-4H2,1-2H3,(H3,11,13,15,16,17).
What are the key properties of 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide?
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 277.29 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80814266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).