1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol

C12H17N7O — CID 80822955

IUPAC1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCCNc1nc(N2CCC(O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7O/c1-2-14-10-15-11(18-5-3-9(20)7-18)17-12(16-10)19-6-4-13-8-19/h4,6,8-9,20H,2-3,5,7H2,1H3,(H,14,15,16,17)
InChIKeyJASIWBBCHKSNMP-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.06
Rot. Bonds4

About 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol

1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 80822955) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID80822955
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCCNc1nc(N2CCC(O)C2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7O/c1-2-14-10-15-11(18-5-3-9(20)7-18)17-12(16-10)19-6-4-13-8-19/h4,6,8-9,20H,2-3,5,7H2,1H3,(H,14,15,16,17)
InChIKeyJASIWBBCHKSNMP-UHFFFAOYSA-N
XLogP0.06
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 115967439
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764330
[4-(3-ethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80898508
4-N-(cyclopropylmethyl)-2-N,4-N-diethyl-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80819888
4-N-ethyl-6-imidazol-1-yl-2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
CID 103065340
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
2-N-ethyl-6-imidazol-1-yl-4-N-methyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80780584
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 80822955) is 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol is CCNc1nc(N2CCC(O)C2)nc(-n2ccnc2)n1.
What is the InChIKey of 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is JASIWBBCHKSNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-14-10-15-11(18-5-3-9(20)7-18)17-12(16-10)19-6-4-13-8-19/h4,6,8-9,20H,2-3,5,7H2,1H3,(H,14,15,16,17).
What are the key properties of 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 275.32 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 80822955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).