carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine

C15H20N4O3 — CID 122553045

IUPACcarbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine
SMILESNCCCC1CC1c1cn(-c2cccnc2)cn1.O=C(O)O
InChIInChI=1S/C14H18N4.CH2O3/c15-5-1-3-11-7-13(11)14-9-18(10-17-14)12-4-2-6-16-8-12;2-1(3)4/h2,4,6,8-11,13H,1,3,5,7,15H2;(H2,2,3,4)
InChIKeyQGFLCPDVTYFGEJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.33
Rot. Bonds5

About carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine

carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine (PubChem CID 122553045) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine.

Molecular Properties

Compound Namecarbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine
PubChem CID122553045
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namecarbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine
SMILESNCCCC1CC1c1cn(-c2cccnc2)cn1.O=C(O)O
InChIInChI=1S/C14H18N4.CH2O3/c15-5-1-3-11-7-13(11)14-9-18(10-17-14)12-4-2-6-16-8-12;2-1(3)4/h2,4,6,8-11,13H,1,3,5,7,15H2;(H2,2,3,4)
InChIKeyQGFLCPDVTYFGEJ-UHFFFAOYSA-N
XLogP2.33
TPSA114.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine?
The IUPAC name of carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine (CID 122553045) is carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine.
What is the SMILES notation for carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine?
The canonical SMILES for carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine is NCCCC1CC1c1cn(-c2cccnc2)cn1.O=C(O)O.
What is the InChIKey of carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine?
The InChIKey is QGFLCPDVTYFGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.CH2O3/c15-5-1-3-11-7-13(11)14-9-18(10-17-14)12-4-2-6-16-8-12;2-1(3)4/h2,4,6,8-11,13H,1,3,5,7,15H2;(H2,2,3,4).
What are the key properties of carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine?
carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine has a molecular weight of 304.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine is sourced from PubChem (CID 122553045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).