2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

C16H23N7O — CID 126800921

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESCCn1cnnc1C1CN(c2cc(N3CCCC3)ncn2)CCO1
InChIInChI=1S/C16H23N7O/c1-2-21-12-19-20-16(21)13-10-23(7-8-24-13)15-9-14(17-11-18-15)22-5-3-4-6-22/h9,11-13H,2-8,10H2,1H3
InChIKeyKDSKRJYDCZRMQC-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.27
Rot. Bonds4

About 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine

2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (PubChem CID 126800921) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
PubChem CID126800921
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
SMILESCCn1cnnc1C1CN(c2cc(N3CCCC3)ncn2)CCO1
InChIInChI=1S/C16H23N7O/c1-2-21-12-19-20-16(21)13-10-23(7-8-24-13)15-9-14(17-11-18-15)22-5-3-4-6-22/h9,11-13H,2-8,10H2,1H3
InChIKeyKDSKRJYDCZRMQC-UHFFFAOYSA-N
XLogP1.27
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
4,6-bis[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133485999
(2S)-4-(6-ethyl-5-fluoropyrimidin-4-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332145
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(8-methylquinazolin-4-yl)morpholine
CID 129329476
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(4-methoxypyrimidin-2-yl)morpholine
CID 129334871
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]morpholine
CID 154755868
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
CID 129001083
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
2-(4-bromophenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133298883
4-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 119040093
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
1-[6-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-4-ol
CID 162633573

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine (CID 126800921) is 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is CCn1cnnc1C1CN(c2cc(N3CCCC3)ncn2)CCO1.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
The InChIKey is KDSKRJYDCZRMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-2-21-12-19-20-16(21)13-10-23(7-8-24-13)15-9-14(17-11-18-15)22-5-3-4-6-22/h9,11-13H,2-8,10H2,1H3.
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine?
2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine has a molecular weight of 329.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 126800921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).