N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide

C12H15N5O2 — CID 135787949

IUPACN-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide
SMILESCCC(NC(C)=O)c1nnc(-c2ccc[nH]2)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-3-8(14-7(2)18)10-12(19)15-11(17-16-10)9-5-4-6-13-9/h4-6,8,13H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyKQLMORBUVMTHIH-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.75
Rot. Bonds4

About N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide

N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide (PubChem CID 135787949) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide
PubChem CID135787949
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide
SMILESCCC(NC(C)=O)c1nnc(-c2ccc[nH]2)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-3-8(14-7(2)18)10-12(19)15-11(17-16-10)9-5-4-6-13-9/h4-6,8,13H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyKQLMORBUVMTHIH-UHFFFAOYSA-N
XLogP0.75
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-3-(2-pyridinyl)-1,2,4-triazin-5(2H)-one
CID 135441872
1-ethyl-6-methyl-3-(1H-pyrrol-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
CID 4673464
(5Z,8Z,11Z,14Z)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
CID 10157610
1-butyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
CID 135966001
1-ethyl-6-methyl-5,7-dioxo-3-(1H-pyrrol-2-yl)-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine 4-oxide
CID 136123408
Pyrrole, 2-((N-acetyl-N-ethylamino)methyl)-
CID 119986
1H-Pyrrole-3-carboxamide, 2,5-dihydro-N-(3-((1H-pyrrol-2-ylmethyl)amino)propyl)-2,2,5,5-tetramethyl-, dihydrochloride
CID 24845291
(2R)-2-[[2-[[2-[[2-[[2-[[2-(6-aminohexylamino)acetyl]-(3-guanidinopropyl)amino]acetyl]-(3-guanidinopropyl)amino]acetyl]-[2-(1-methylpyrrol-2-yl)ethyl]amino]acetyl]-(3-guanidinopropyl)amino]acetyl]amino]-5-guanidino-pentanamide
CID 484273
2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
CID 24845292
(S)-1-methyl-3-{[(2-pyridyl)methyl]amino}-2-pyrrolidinone
CID 95365710
2-[[methyl(propan-2-yl)amino]methyl]-9-(1H-pyrrole-2-carbonyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97390403
2-[(dimethylamino)methyl]-9-(1H-pyrrole-2-carbonyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97467679

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide?
The IUPAC name of N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide (CID 135787949) is N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide.
What is the SMILES notation for N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide?
The canonical SMILES for N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide is CCC(NC(C)=O)c1nnc(-c2ccc[nH]2)[nH]c1=O.
What is the InChIKey of N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide?
The InChIKey is KQLMORBUVMTHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-8(14-7(2)18)10-12(19)15-11(17-16-10)9-5-4-6-13-9/h4-6,8,13H,3H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide?
N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-oxo-3-(1H-pyrrol-2-yl)-4H-1,2,4-triazin-6-yl]propyl]acetamide is sourced from PubChem (CID 135787949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).