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

C11H16N8O — CID 80787468

IUPAC2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCNc1nc(NC(C)C(N)=O)nc(-n2cccn2)n1
InChIInChI=1S/C11H16N8O/c1-3-13-9-16-10(15-7(2)8(12)20)18-11(17-9)19-6-4-5-14-19/h4-7H,3H2,1-2H3,(H2,12,20)(H2,13,15,16,17,18)
InChIKeyXMFIGYAJMXRKJV-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.23
Rot. Bonds6

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

2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80787468) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80787468
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCNc1nc(NC(C)C(N)=O)nc(-n2cccn2)n1
InChIInChI=1S/C11H16N8O/c1-3-13-9-16-10(15-7(2)8(12)20)18-11(17-9)19-6-4-5-14-19/h4-7H,3H2,1-2H3,(H2,12,20)(H2,13,15,16,17,18)
InChIKeyXMFIGYAJMXRKJV-UHFFFAOYSA-N
XLogP-0.23
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(ethylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80788657
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
CID 80901085
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
2-N-ethyl-4-N-methyl-4-N-(3-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80780583
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106346837
N-ethyl-4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80844530
3-[[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832734
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide (CID 80787468) is 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide is CCNc1nc(NC(C)C(N)=O)nc(-n2cccn2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is XMFIGYAJMXRKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-3-13-9-16-10(15-7(2)8(12)20)18-11(17-9)19-6-4-5-14-19/h4-7H,3H2,1-2H3,(H2,12,20)(H2,13,15,16,17,18).
What are the key properties of 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 276.30 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80787468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).